Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "71d111f3b5fc7aef9d74141eee1ae3b3",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.254,
"b": 52.664,
"c": 44.535,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.670,1.480],
"number_observations": 127943,
"number_observations_unique": 41372,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.104
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.480],
"number_observations": 4023,
"number_observations_unique": 1873,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.211
},
{
"type": "R(meas)",
"value": 1.559
},
{
"type": "R(pim)",
"value": 0.965
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 90.500
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.304
}
]
},
{
"resolution_limits": [54.670,8.100],
"number_observations": 1029,
"number_observations_unique": 285,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 27.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}